GōMartini 3: From large conformational changes in proteins to environmental bias corrections

GōMartini 3: From large conformational changes in proteins to environmental bias corrections

Abstract Coarse-grained modeling has become an important tool to supplement experimental measurements, allowing access to spatio-temporal scales beyond all-atom based approaches. The GōMartini model combines structure- and physics-based coarse-grained approaches, balancing computational efficiency a...

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Main Authors: Paulo C. T. Souza, Luís Borges-Araújo, Christopher Brasnett, Rodrigo A. Moreira, Fabian Grünewald, Peter Park, Liguo Wang, Hafez Razmazma, Ana C. Borges-Araújo, Luis Fernando Cofas-Vargas, Luca Monticelli, Raúl Mera-Adasme, Manuel N. Melo, Sangwook Wu, Siewert J. Marrink, Adolfo B. Poma, Sebastian Thallmair
Format: Article
Language:English
Published: Nature Portfolio 2025-04-01
Series:Nature Communications
Online Access:https://doi.org/10.1038/s41467-025-58719-0
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https://doi.org/10.1038/s41467-025-58719-0

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